smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(O)c(O)c2oc(=O)c3cc(O)c(O)c(O)c3c12	ZINC000033832341	290898438	/nfs/dbraw/zinc/89/84/38/290898438.db2.gz	FLZGFQFYDGHWLR-UHFFFAOYSA-N	-1	2	320.209	1.172	10	10	biogenic,in-vitro	DDCELM
CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1	ZINC000294029506	409229202	/nfs/dbraw/zinc/22/92/02/409229202.db2.gz	VLXCBUDAAWXGTE-NSHDSACASA-N	-1	2	301.383	1.788	10	10		DDCELM
CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O	ZINC000177240252	408559523	/nfs/dbraw/zinc/55/95/23/408559523.db2.gz	GXMOWGBMNCUVHD-CQSZACIVSA-N	-1	2	308.353	1.787	10	10		DDCELM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000048847215	696218592	/nfs/dbraw/zinc/21/85/92/696218592.db2.gz	HELMXYWAKZULAN-UHFFFAOYSA-N	-1	2	311.319	1.231	10	10		DDCELM